CID 34773

5-ethyl-5-methyltetrahydro-3-furanol

Structural Information

Molecular Formula
C7H14O2
SMILES
CCC1(CC(CO1)O)C
InChI
InChI=1S/C7H14O2/c1-3-7(2)4-6(8)5-9-7/h6,8H,3-5H2,1-2H3
InChIKey
QKADHOBFWJDXQB-UHFFFAOYSA-N
Compound name
5-ethyl-5-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 126.4
[M+Na]+ 153.08860 136.4
[M+NH4]+ 148.13320 136.4
[M+K]+ 169.06254 131.6
[M-H]- 129.09210 128.4
[M+Na-2H]- 151.07405 131.4
[M]+ 130.09883 128.4
[M]- 130.09993 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.